2-chloro-N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-4-nitrobenzamide
Chemical Structure Depiction of
2-chloro-N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-4-nitrobenzamide
2-chloro-N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-4-nitrobenzamide
Compound characteristics
| Compound ID: | 3365-2646 |
| Compound Name: | 2-chloro-N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-4-nitrobenzamide |
| Molecular Weight: | 389.86 |
| Molecular Formula: | C18 H16 Cl N3 O3 S |
| Smiles: | C1CCCc2c(CC1)c(C#N)c(NC(c1ccc(cc1[Cl])[N+]([O-])=O)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 5.145 |
| logD: | 1.4293 |
| logSw: | -5.7656 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.813 |
| InChI Key: | OABACFMOGPNSJM-UHFFFAOYSA-N |